2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone

C17H16O5 — CID 175031388

IUPAC2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone
SMILESCc1ccccc1C(=O)c1ccccc1.O=COCC(=O)O
InChIInChI=1S/C14H12O.C3H4O4/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;4-2-7-1-3(5)6/h2-10H,1H3;2H,1H2,(H,5,6)
InChIKeyGLECDRGNHOADCY-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.47
Rot. Bonds5

About 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone

2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone (PubChem CID 175031388) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Name2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone
PubChem CID175031388
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone
SMILESCc1ccccc1C(=O)c1ccccc1.O=COCC(=O)O
InChIInChI=1S/C14H12O.C3H4O4/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;4-2-7-1-3(5)6/h2-10H,1H3;2H,1H2,(H,5,6)
InChIKeyGLECDRGNHOADCY-UHFFFAOYSA-N
XLogP2.47
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
2-[1-[4-(2-methylbenzoyl)phenyl]pyrrolidin-2-yl]acetic acid
CID 67085733
2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
CID 21320367
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
[(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate
CID 134263023
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
(E)-3-(2-methylphenyl)-2-oxopent-3-enoic acid
CID 143135216
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379

Frequently Asked Questions

What is the IUPAC name of 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone?
The IUPAC name of 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone (CID 175031388) is 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone.
What is the SMILES notation for 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone?
The canonical SMILES for 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone is Cc1ccccc1C(=O)c1ccccc1.O=COCC(=O)O.
What is the InChIKey of 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone?
The InChIKey is GLECDRGNHOADCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C3H4O4/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;4-2-7-1-3(5)6/h2-10H,1H3;2H,1H2,(H,5,6).
What are the key properties of 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone?
2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone has a molecular weight of 300.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone is sourced from PubChem (CID 175031388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).